new BindingDB logo
myBDB logout

BDBM50055576 CHEMBL3321797

SMILES: [H][C@]12CCCC[C@]1([H])CN(CCCCCCCN1C(=O)Cc3ccccc13)CC2

InChI Key: InChIKey=BSBJKTRDMXTSGL-MGRUGCKGNA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50055576   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50055576
PNG
(CHEMBL3321797)
Show SMILES [H][C@]12CCCC[C@]1([H])CN(CCCCCCCN1C(=O)Cc3ccccc13)CC2 |r|
Show InChI InChI=1/C24H36N2O/c27-24-18-21-11-6-7-13-23(21)26(24)16-9-3-1-2-8-15-25-17-14-20-10-4-5-12-22(20)19-25/h6-7,11,13,20,22H,1-5,8-10,12,14-19H2/t20-,22-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
62n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50055576
PNG
(CHEMBL3321797)
Show SMILES [H][C@]12CCCC[C@]1([H])CN(CCCCCCCN1C(=O)Cc3ccccc13)CC2 |r|
Show InChI InChI=1/C24H36N2O/c27-24-18-21-11-6-7-13-23(21)26(24)16-9-3-1-2-8-15-25-17-14-20-10-4-5-12-22(20)19-25/h6-7,11,13,20,22H,1-5,8-10,12,14-19H2/t20-,22-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in CHO-K1 cells after 120 mins by scintillation spectrometry


J Med Chem 57: 6879-84 (2014)


Article DOI: 10.1021/jm500880c
BindingDB Entry DOI: 10.7270/Q2J104TB
More data for this
Ligand-Target Pair